S634-1047 Screening compound: 2-(1-acetyl-3-piperidyl)-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide

S634-1047 Screening compound: 2-(1-acetyl-3-piperidyl)-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide
S634-1047 Screening compound: 2-(1-acetyl-3-piperidyl)-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S634-1047
2-(1-acetyl-3-piperidyl)-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S634-1047

Molecular Formula

C21H31N5O2 (C21 H31 N5 O2)

Compound Name

2-(1-acetyl-3-piperidyl)-N~3~-methyl-N~3~-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrrole-3-carboxamide

IUPAC name

n/a

SMILES

CCCn1nc(C)cc1CN(C)C(c1c(C(CCC2)CN2C(C)=O)[nH]cc1)=O

InChI

InChI=1S/C21H31N5O2/c1-5-10-26-18(12-15(2)23-26)14-24(4)21(28)19-8-9-22-20(19)17-7-6-11-25(13-17)16(3)27/h8-9,12,17,22H,5-7,10-11,13-14H2,1-4H3/t17-/m0/s1

InChI Key

MYJZNAFRGXAMDO-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.317

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-2.31

Polar Surface Area

57.771

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S634-1047 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S634-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S634-1047?
Check Price and Availability of S634-1047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S634-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S634-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S634-1047
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S634-1047 available by request